N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine

C16H16N4 — CID 66980577

IUPACN-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine
SMILESNC1CC1c1ccc(Nc2cccc3cc[nH]c23)nc1
InChIInChI=1S/C16H16N4/c17-13-8-12(13)11-4-5-15(19-9-11)20-14-3-1-2-10-6-7-18-16(10)14/h1-7,9,12-13,18H,8,17H2,(H,19,20)
InChIKeyIOQGCSJQYHDWDN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.12
Rot. Bonds3

About N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine

N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine (PubChem CID 66980577) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine.

Molecular Properties

Compound NameN-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine
PubChem CID66980577
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine
SMILESNC1CC1c1ccc(Nc2cccc3cc[nH]c23)nc1
InChIInChI=1S/C16H16N4/c17-13-8-12(13)11-4-5-15(19-9-11)20-14-3-1-2-10-6-7-18-16(10)14/h1-7,9,12-13,18H,8,17H2,(H,19,20)
InChIKeyIOQGCSJQYHDWDN-UHFFFAOYSA-N
XLogP3.12
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine?
The IUPAC name of N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine (CID 66980577) is N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine.
What is the SMILES notation for N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine?
The canonical SMILES for N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine is NC1CC1c1ccc(Nc2cccc3cc[nH]c23)nc1.
What is the InChIKey of N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine?
The InChIKey is IOQGCSJQYHDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-13-8-12(13)11-4-5-15(19-9-11)20-14-3-1-2-10-6-7-18-16(10)14/h1-7,9,12-13,18H,8,17H2,(H,19,20).
What are the key properties of N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine?
N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine has a molecular weight of 264.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminocyclopropyl)-2-pyridinyl]-1H-indol-7-amine is sourced from PubChem (CID 66980577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).